(2S,6R)-4-(5-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,6-dimethylmorpholine

C12H14ClN3OS — CID 118224184

IUPAC(2S,6R)-4-(5-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2nc3nc(Cl)ccc3s2)C[C@H](C)O1
InChIInChI=1S/C12H14ClN3OS/c1-7-5-16(6-8(2)17-7)12-15-11-9(18-12)3-4-10(13)14-11/h3-4,7-8H,5-6H2,1-2H3/t7-,8+
InChIKeyPJEQIWSLIYZAOV-OCAPTIKFSA-N
MW283.78 g/mol
LogP2.96
Rot. Bonds1

About (2S,6R)-4-(5-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,6-dimethylmorpholine

(2S,6R)-4-(5-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,6-dimethylmorpholine (PubChem CID 118224184) has the molecular formula C12H14ClN3OS and a molecular weight of 283.78 g/mol. Its IUPAC name is (2S,6R)-4-(5-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(5-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,6-dimethylmorpholine
PubChem CID118224184
Molecular FormulaC12H14ClN3OS
Molecular Weight283.78 g/mol
Exact Mass283.05
IUPAC Name(2S,6R)-4-(5-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(c2nc3nc(Cl)ccc3s2)C[C@H](C)O1
InChIInChI=1S/C12H14ClN3OS/c1-7-5-16(6-8(2)17-7)12-15-11-9(18-12)3-4-10(13)14-11/h3-4,7-8H,5-6H2,1-2H3/t7-,8+
InChIKeyPJEQIWSLIYZAOV-OCAPTIKFSA-N
XLogP2.96
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(5-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(5-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,6-dimethylmorpholine (CID 118224184) is (2S,6R)-4-(5-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(5-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(5-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,6-dimethylmorpholine is C[C@@H]1CN(c2nc3nc(Cl)ccc3s2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-(5-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,6-dimethylmorpholine?
The InChIKey is PJEQIWSLIYZAOV-OCAPTIKFSA-N. The full InChI is InChI=1S/C12H14ClN3OS/c1-7-5-16(6-8(2)17-7)12-15-11-9(18-12)3-4-10(13)14-11/h3-4,7-8H,5-6H2,1-2H3/t7-,8+.
What are the key properties of (2S,6R)-4-(5-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,6-dimethylmorpholine?
(2S,6R)-4-(5-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,6-dimethylmorpholine has a molecular weight of 283.78 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(5-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 118224184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).